Table 6.

Molecular properties of 6 curcuma compounds.

Compound ID	miLogP	TPSA	Natoms	MW	nON	nOHNH	nrotB	Volume	LogS(ESOL)
91 (CCR)	2.25	57.53	18	252.35	3	2	0	253.50	− 2.41
3	2.79	43.69	20	281.44	3	2	6	298.49	− 2.61
88	2.28	63.60	19	262.31	4	1	0	240.16	− 1.71
EF31 (CL)	0.66	54.88	21	277.33	4	1	2	256.12	− 2.54
UBS109	1.25	46.09	22	291.35	4	0	2	273.06	− 2.91
Bisacurone	1.87	57.53	18	252.35	3	2	4	258.48	− 2.32

CCR Curcuma caesia Roxb., CL Curcuma longa L., miLogP octanol/water partition coefficient, nOHNH H-bond donor, nON H-bond acceptor, MW molecular weight, TPSA topological polar surface area, nrotB no. of rotatable bond, natoms no. of atoms, ESOL estimated solubility.

Bold- Compound 3 having maximum volume, lipophilicity, hydrogen bond donors, and rotatable bonds.